⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL5248943 | 0.74 | — | — | |
| SCHEMBL5248947 | 0.74 | — | — | |
| SCHEMBL10664271 | 0.74 | — | — | |
| SCHEMBL4796788 | 0.72 | — | — | |
| SCHEMBL8116115 | 0.71 | — | — | |
| SCHEMBL4185166 | 0.71 | — | — | |
| SCHEMBL27595630 | 0.70 | CYP3A4 (0.35) | — | |
| SCHEMBL8865924 | 0.67 | — | — | |
| SCHEMBL31506740 | 0.67 | — | — | |
| SCHEMBL29614489 | 0.66 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20060106048-A1 | Furoisoquinoline derivative and use thereof | PASCALI, PETROS P. (CY) | 2006-05-18 | — | — | US | claimed |
| EP-1541576-A1 | FUROISOQUINOLINE DERIVATIVE AND USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2005-06-15 | — | — | EP | claimed |
| US-20060106048-A1 | Furoisoquinoline derivative and use thereof | PASCALI, PETROS P. (CY) | 2006-05-18 | — | — | US | disclosed |
| EP-1541576-A1 | FUROISOQUINOLINE DERIVATIVE AND USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2005-06-15 | — | — | EP | disclosed |